N-[(4-tert-butylphenyl)methyl]-2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine

C27H36N2O — CID 7296815

IUPACN-[(4-tert-butylphenyl)methyl]-2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine
SMILESCOCCN(Cc1ccc(C(C)(C)C)cc1)Cc1cccn1Cc1cccc(C)c1
InChIInChI=1S/C27H36N2O/c1-22-8-6-9-24(18-22)20-29-15-7-10-26(29)21-28(16-17-30-5)19-23-11-13-25(14-12-23)27(2,3)4/h6-15,18H,16-17,19-21H2,1-5H3
InChIKeyMBNOXQNBFCEBJU-UHFFFAOYSA-N
MW404.60 g/mol
LogP5.79
Rot. Bonds9

About N-[(4-tert-butylphenyl)methyl]-2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine

N-[(4-tert-butylphenyl)methyl]-2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine (PubChem CID 7296815) has the molecular formula C27H36N2O and a molecular weight of 404.60 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine
PubChem CID7296815
Molecular FormulaC27H36N2O
Molecular Weight404.60 g/mol
Exact Mass404.28
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine
SMILESCOCCN(Cc1ccc(C(C)(C)C)cc1)Cc1cccn1Cc1cccc(C)c1
InChIInChI=1S/C27H36N2O/c1-22-8-6-9-24(18-22)20-29-15-7-10-26(29)21-28(16-17-30-5)19-23-11-13-25(14-12-23)27(2,3)4/h6-15,18H,16-17,19-21H2,1-5H3
InChIKeyMBNOXQNBFCEBJU-UHFFFAOYSA-N
XLogP5.79
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.60
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(4-tert-butylphenyl)methyl]-2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-(2-methoxyethyl)amino]-3-methoxypropan-2-ol
CID 42794817
N-[(3-fluorophenyl)methyl]-2-methoxy-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]ethanamine
CID 7289252
N-[(1-benzylpyrrol-2-yl)methyl]-3-methoxy-N-[(4-methylphenyl)methyl]propan-1-amine
CID 7226372
2-methoxy-N-(2-methoxyethyl)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]acetamide
CID 3665471
1-[[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-(2-methoxyethyl)amino]pentan-2-ol
CID 46128305
N-[(3,4-difluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 42797080
(3S)-N-(2-methoxyethyl)-3,5,5-trimethyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]hexanamide
CID 7347806
4-tert-butyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 3453162
N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]prop-2-en-1-amine
CID 42795108
3,5-dimethoxy-N-(2-methoxyethyl)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 5110033
N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine
CID 7373189
N-[(3,5-difluorophenyl)methyl]-3-methoxy-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 42797612

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine (CID 7296815) is N-[(4-tert-butylphenyl)methyl]-2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine is COCCN(Cc1ccc(C(C)(C)C)cc1)Cc1cccn1Cc1cccc(C)c1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine?
The InChIKey is MBNOXQNBFCEBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O/c1-22-8-6-9-24(18-22)20-29-15-7-10-26(29)21-28(16-17-30-5)19-23-11-13-25(14-12-23)27(2,3)4/h6-15,18H,16-17,19-21H2,1-5H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine?
N-[(4-tert-butylphenyl)methyl]-2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine has a molecular weight of 404.60 g/mol, XLogP of 5.79, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine is sourced from PubChem (CID 7296815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).